Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate
TL;DR: Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate (CAS 71412-41-4) is a chemical compound with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-methylbutyl] N-[4-[[4-[[(2R)-2-methylbutoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
Also Known As: Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate, Carbamic acid, (methylenedi-4,1-phenylene)bis-, bis(2-methylbutyl) ester, Carbamic acid, (methylene-di-4,1-phenylene)bis-, bis(2-methylbutyl ester), Carbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-bis(2-methylbutyl) ester, [(2R)-2-methylbutyl] N-[4-[[4-[[(2R)-2-methylbutoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
| Molecular Formula | C25H34N2O4 |
|---|---|
| Molecular Weight | 426.25 g/mol |
| LogP | 6.4666 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.25186 |
| Heavy Atoms | 31 |
| Complexity | 748.9206 |
Chemical Identifiers
| CAS Number | 71412-41-4 |
|---|---|
| SMILES | CC[C@@H](C)COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC[C@H](C)CC |
Product Overview
Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate (CAS 71412-41-4), with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol. IUPAC: [(2R)-2-methylbutyl] N-[4-[[4-[[(2R)-2-methylbutoxy]carbonylamino]phenyl]methyl]phenyl]carbamate.
Chemical Property Profile of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate
Property Insights of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate
The XLogP value of 6.4666 indicates that Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate. Following Lipinski's Rule of Five, Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate?
The CAS number of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate is 71412-41-4.
What is the molecular formula of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate?
The molecular formula of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate is C25H34N2O4.
What is the molecular weight of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate?
The molecular weight of Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate is 426.25 g/mol.
Where can I buy Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate?
You can request a quote for Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.